ethyl 5-phenyl-1,3-oxazole-4-carboxylate

C12H11NO3 — CID 2796947

IUPACethyl 5-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccccc1
InChIInChI=1S/C12H11NO3/c1-2-15-12(14)10-11(16-8-13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyLFBYYERWTHYROG-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.52
Rot. Bonds3

About ethyl 5-phenyl-1,3-oxazole-4-carboxylate

ethyl 5-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 2796947) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 5-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenyl-1,3-oxazole-4-carboxylate
PubChem CID2796947
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Nameethyl 5-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccccc1
InChIInChI=1S/C12H11NO3/c1-2-15-12(14)10-11(16-8-13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyLFBYYERWTHYROG-UHFFFAOYSA-N
XLogP2.52
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-phenyl-1,3-oxazole-4-carboxylate (CID 2796947) is ethyl 5-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-phenyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1ccccc1.
What is the InChIKey of ethyl 5-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is LFBYYERWTHYROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-15-12(14)10-11(16-8-13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 5-phenyl-1,3-oxazole-4-carboxylate?
ethyl 5-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 2796947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).